2-[(1-tert-butyltetrazol-5-yl)methyl-methylamino]-N-(3-chlorophenyl)acetamide

C15H21ClN6O — CID 86794347

IUPAC2-[(1-tert-butyltetrazol-5-yl)methyl-methylamino]-N-(3-chlorophenyl)acetamide
SMILESCN(CC(=O)Nc1cccc(Cl)c1)Cc1nnnn1C(C)(C)C
InChIInChI=1S/C15H21ClN6O/c1-15(2,3)22-13(18-19-20-22)9-21(4)10-14(23)17-12-7-5-6-11(16)8-12/h5-8H,9-10H2,1-4H3,(H,17,23)
InChIKeyROJNOWDWOOFXAW-UHFFFAOYSA-N
MW336.83 g/mol
LogP2.15
Rot. Bonds5

About 2-[(1-tert-butyltetrazol-5-yl)methyl-methylamino]-N-(3-chlorophenyl)acetamide

2-[(1-tert-butyltetrazol-5-yl)methyl-methylamino]-N-(3-chlorophenyl)acetamide (PubChem CID 86794347) has the molecular formula C15H21ClN6O and a molecular weight of 336.83 g/mol. Its IUPAC name is 2-[(1-tert-butyltetrazol-5-yl)methyl-methylamino]-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(1-tert-butyltetrazol-5-yl)methyl-methylamino]-N-(3-chlorophenyl)acetamide
PubChem CID86794347
Molecular FormulaC15H21ClN6O
Molecular Weight336.83 g/mol
Exact Mass336.15
IUPAC Name2-[(1-tert-butyltetrazol-5-yl)methyl-methylamino]-N-(3-chlorophenyl)acetamide
SMILESCN(CC(=O)Nc1cccc(Cl)c1)Cc1nnnn1C(C)(C)C
InChIInChI=1S/C15H21ClN6O/c1-15(2,3)22-13(18-19-20-22)9-21(4)10-14(23)17-12-7-5-6-11(16)8-12/h5-8H,9-10H2,1-4H3,(H,17,23)
InChIKeyROJNOWDWOOFXAW-UHFFFAOYSA-N
XLogP2.15
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.83
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251258
N-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide
CID 9041038
2-[(2-aminophenyl)methyl-methylamino]-N-(3-chlorophenyl)acetamide
CID 43458599
N-(3-chlorophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196114
2-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 120751211
N-(3-chlorophenyl)-2-[methyl-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]amino]acetamide
CID 51087022
1-tert-butyl-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-3-carboxamide
CID 55777899
N-(3-chlorophenyl)-2-[methyl-[(2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetamide
CID 55853646
N-(3-chlorophenyl)-2-[methyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]acetamide
CID 37131235
3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide
CID 119294381
N-(3-chlorophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9287939
2-[tert-butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)acetamide
CID 113152943

Frequently Asked Questions

What is the IUPAC name of 2-[(1-tert-butyltetrazol-5-yl)methyl-methylamino]-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-[(1-tert-butyltetrazol-5-yl)methyl-methylamino]-N-(3-chlorophenyl)acetamide (CID 86794347) is 2-[(1-tert-butyltetrazol-5-yl)methyl-methylamino]-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-[(1-tert-butyltetrazol-5-yl)methyl-methylamino]-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-[(1-tert-butyltetrazol-5-yl)methyl-methylamino]-N-(3-chlorophenyl)acetamide is CN(CC(=O)Nc1cccc(Cl)c1)Cc1nnnn1C(C)(C)C.
What is the InChIKey of 2-[(1-tert-butyltetrazol-5-yl)methyl-methylamino]-N-(3-chlorophenyl)acetamide?
The InChIKey is ROJNOWDWOOFXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN6O/c1-15(2,3)22-13(18-19-20-22)9-21(4)10-14(23)17-12-7-5-6-11(16)8-12/h5-8H,9-10H2,1-4H3,(H,17,23).
What are the key properties of 2-[(1-tert-butyltetrazol-5-yl)methyl-methylamino]-N-(3-chlorophenyl)acetamide?
2-[(1-tert-butyltetrazol-5-yl)methyl-methylamino]-N-(3-chlorophenyl)acetamide has a molecular weight of 336.83 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-tert-butyltetrazol-5-yl)methyl-methylamino]-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 86794347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).